5X9R
Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-29 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 |
Unit cell lengths | 93.998, 93.998, 172.947 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 94.000 - 3.980 |
R-factor | 0.27473 |
Rwork | 0.273 |
R-free | 0.32330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a1s |
RMSD bond length | 0.008 |
RMSD bond angle | 1.248 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 94.000 | 4.100 |
High resolution limit [Å] | 3.980 | 4.000 |
Number of reflections | 12743 | |
<I/σ(I)> | 30.2 | 1.9 |
Completeness [%] | 99.2 | |
Redundancy | 6.8 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 100 mM MES pH 6.0-6.5, 100-200 mM NaCl, 32-36% PEG400, 5mM Sodium Citrate |